Mrv0541 02241211582D 66 73 0 0 0 0 999 V2000 2.1632 1.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1495 0.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4566 1.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4126 -0.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1344 -0.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6922 -0.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0131 -0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0282 -1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 0.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7362 -0.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7485 -1.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4718 -2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1784 -1.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9002 -2.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1634 -0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3819 -2.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 -1.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4420 -2.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1497 -0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 -0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4429 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5918 -0.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2999 -0.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3274 -2.0856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1739 -3.5127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2518 -2.5751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0354 -1.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7573 -2.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0217 -0.8360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7710 -2.8845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4639 -1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7283 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7132 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4488 -0.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4213 0.8387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1568 -0.3863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1843 -2.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7362 1.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7087 0.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4278 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 -0.9597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8576 0.2639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5642 -0.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2846 0.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 -0.9844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9914 -0.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2998 1.0642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7131 0.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9777 -1.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2558 -1.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6857 -1.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0215 1.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0353 2.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7282 1.0407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3286 2.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7571 2.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4487 1.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1568 1.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4638 2.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1843 2.6630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 3.5127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9983 2.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9383 2.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3237 -1.6265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 40 1 0 0 0 0 3 64 1 0 0 0 0 3 65 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 40 1 0 0 0 0 6 11 1 0 0 0 0 7 43 2 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 11 41 2 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 12 66 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 19 24 1 0 0 0 0 19 26 1 0 0 0 0 20 27 2 0 0 0 0 20 28 1 0 0 0 0 22 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 31 34 1 0 0 0 0 33 36 1 0 0 0 0 33 39 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 41 42 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 47 52 1 0 0 0 0 48 50 1 0 0 0 0 48 51 1 0 0 0 0 49 54 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 55 57 1 0 0 0 0 55 58 1 0 0 0 0 56 59 1 0 0 0 0 58 61 1 0 0 0 0 58 63 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 61 62 1 0 0 0 0 M END > CHEM032623 > chemdb > CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C5CCC4(C)C2(C)CC3)C(O)=O)C(O)C(O)C1O > InChI=1S/C47H74O19/c1-20-28(51)31(54)33(56)37(62-20)64-35-29(52)24(50)19-61-39(35)66-41(60)47-14-12-42(2,3)16-22(47)21-8-9-26-43(4)17-23(49)36(65-38-34(57)32(55)30(53)25(18-48)63-38)46(7,40(58)59)27(43)10-11-45(26,6)44(21,5)13-15-47/h8,20,22-39,48-57H,9-19H2,1-7H3,(H,58,59) > HLNPLLKKVMGOKC-UHFFFAOYSA-N > C47H74O19 > 943.0791 > 942.482430186 > 18 > 98.71758675810565 > 0 > 11 > 0 > 0 > 8a-[({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)carbonyl]-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid > 1.19 > 0.5791279493333338 > -3.20 > 1 > 8 > -1 > 11.881460600268673 > 4.223743910805857 > -3.6121826294491637 > 312.04999999999995 > 226.4548000000001 > 9 > 0 > 6.01e-01 g/l > 8a-[({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)carbonyl]-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid > 0 > Medicoside H > 125448-43-3 $$$$